SCHEMBL6852849

SCHEMBL6852849

O=CCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
DHODH Q02127 1/20 0.41
WNT3A P56704 13/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
EP300 Q09472 2/20 0.38
P2RX7 Q99572 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6227083 0.85 HDAC4 (0.37) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6878881 0.85 EP300 (0.41) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL3118227 0.81 HDAC4 (0.40) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL27612787 0.81 HDAC4 (0.39) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL3118237 0.78 CYP2A6 (0.50) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6852546 0.78 WNT3A (0.42) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL1124647 0.78 HDAC4 (0.43) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL13637169 0.78 RAB9A (0.44) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6215593 0.78 MKNK1 (0.50) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL933590 0.76 CYP1A2 (0.47) DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed